AMBER Archive (2009)
Subject: Re: [AMBER] Error: unable to find mopac charges in mopac.out
From: case (case_at_biomaps.rutgers.edu)
Date: Tue Oct 20 2009 - 06:45:59 CDT
On Tue, Oct 20, 2009, Rilei Yu wrote:
> Thanks for your suggestion. When i did it as your suggestion, but the
> problem still cannot be solved.
> 1: I repeated to run it, but the same error appears again.
> 2: I have permission to delete these file, as I run it in my private computer.
> 3: I have attached all these files to this e-mail, can you re-check again?
Looks like your mopac is not working correctly. Note that the FOR006 output
file just has one line of "***" characters, no real output. Hence the error:
> > Error: unable to find mopac charges in mopac.out
It's not clear what you did, however. You should check that mopac was
actually compiled and installed without problems, and should look for any
error messages that might be generated when you run it by hand. For sure, run
the test cases: if they work, you just need to figure out what is different
between your input and that of the test cases; if they fail, then we know it
is an installation problem and not an input problem.
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